SCHEMBL754324

SCHEMBL754324

COc1ccc(CN2CC(c3ccc(Cc4ccc(F)cc4)cn3)=C(O)C2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 4/20 0.40
CYP1A2 P05177 4/20 0.40
USP2 O75604 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2C9 P11712 2/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HIF1A Q16665 2/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
TP53 P04637 1/20 0.39
MET P08581 3/20 0.39
RGS4 P49798 1/20 0.38
RGS8 P57771 1/20 0.38
HSD17B10 Q99714 3/20 0.38
CASP1 P29466 2/20 0.38
CYP2D6 P10635 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL753420 0.84 ALDH1A1 (0.39) ALDH1A1CYP1A2USP2CYP3A4SMN1; SMN2
SCHEMBL755768 0.81 LIPG (0.34) HTTNPSR1ALDH1A1SMN1; SMN2MET
SCHEMBL752339 0.80 LIPG (0.42) HTTNPSR1ALDH1A1SMN1; SMN2MET
SCHEMBL751248 0.79 LMNA (0.44) LMNAHTTNPSR1ALDH1A1CYP1A2
SCHEMBL751851 0.78 CYP11B1 (0.32) LMNANPSR1ALDH1A1SMN1; SMN2HPGD
SCHEMBL754314 0.72 LIPG (0.48) POLB
SCHEMBL11388601 0.72 SIGMAR1 (0.48) LMNAHTTNPSR1ALDH1A1MAPK1
SCHEMBL752971 0.69 LIPG (0.49) ALDH1A1HPGDMET
SCHEMBL12378285 0.69 LMNA (0.40) LMNAHTTNPSR1ALDH1A1CYP1A2
SCHEMBL12378284 0.69 MEN1 (0.36) LMNAHTTNPSR1ALDH1A1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 EP disclosed
EP-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 EP disclosed
EP-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 EP disclosed
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 US disclosed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT LMNA 2825/4885HTT 4561/4885NPSR1 4178/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LMNA 2945/4885HTT 4541/4885NPSR1 4131/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LMNA 2945/4885HTT 4541/4885NPSR1 4131/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.